- PII
- 10.31857/S0132344X24110059-1
- DOI
- 10.31857/S0132344X24110059
- Publication type
- Article
- Status
- Published
- Authors
- Volume/ Edition
- Volume 50 / Issue number 11
- Pages
- 799-806
- Abstract
- The molecular structures and relative energies of trans- and cis-isomers of bis(chelate) complexes of Pd(II) and Pt(II) salicylal-, thiosalicylal-, and selenosalicylaldiiminates are calculated using the density functional theory. The role of the kinetic factor in the formation of the trans- and cis-isomers of the PdL2 and PtL2 complexes is studied in the framework of the model of the step-by-step formation of the bis(ligand) metal complexes ML2 (M++ + (L)– → (ML)+, (ML)+ + (L)–→ ML2). The competition of the trans- and cis-isomers of the PdL2 and PtL2 bis(chelate) azomethine complexes with the coordination nodes MN2O2, MN2S2, and MN2Se2 is shown to be determined by both the energy preference of one of possible configurations and activation barriers of the isomerization of the products formed in the first step of the interaction of the initial reagents.
- Keywords
- квантово-химическое моделирование бис-хелатные комплексы палладия и платины стереоизомеризация салицилаль- тиосалицилаль- и селеносалицилальдиимины
- Date of publication
- 15.11.2024
- Year of publication
- 2024
- Number of purchasers
- 0
- Views
- 13
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